(E)-but-2-enedioic acid; 5-[4-(2-oxidanylidene-2-piperazin-1-yl-ethyl)piperazin-1-yl]carbonylpyrrolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5-[4-(2-oxidanylidene-2-piperazin-1-yl-ethyl)piperazin-1-yl]carbonylpyrrolidin-2-one Openeye Name: fumaric acid; 5-[4-(2-oxo-2-piperazin-1-yl-ethyl)piperazine-1-carbonyl]pyrrolidin-2-one CAS Name: (E)-2-butenedioic acid; 5-[oxo-[4-[2-oxo-2-(1-piperazinyl)ethyl]-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (E)-but-2-enedioic acid; 5-[4-(2-oxo-2-piperazin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one Traditional Name: fumaric acid; 5-[4-(2-keto-2-piperazino-ethyl)piperazine-1-carbonyl]-2-pyrrolidone Formula: C19H29N5O7 MolecularWeight: 439.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)N2CCN(CC2)CC(=O)N3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)N2CCN(CC2)CC(=O)N3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H25N5O3.C4H4O4/c21-13-2-1-12(17-13)15(23)20-9-7-18(8-10-20)11-14(22)19-5-3-16-4-6-19;5-3(6)1-2-4(7)8/h12,16H,1-11H2,(H,17,21);1-2H,(H,5,6)(H,7,8)/b;2-1+